N-[2-(cyclohexen-1-yl)ethyl]-8-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-8-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-8-(7-methoxybenzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-8-[(7-methoxy-2-benzofuranyl)-oxomethyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-8-(7-methoxy-1-benzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-8-(7-methoxybenzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C27H35N3O3S MolecularWeight: 481.6501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N3CCC4(CC3)CCN(C4)C(=S)NCCC5=CCCCC5

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N3CCC4(CC3)CCN(C4)C(=S)NCCC5=CCCCC5

InChI

InChI=1S/C27H35N3O3S/c1-32-22-9-5-8-21-18-23(33-24(21)22)25(31)29-15-11-27(12-16-29)13-17-30(19-27)26(34)28-14-10-20-6-3-2-4-7-20/h5-6,8-9,18H,2-4,7,10-17,19H2,1H3,(H,28,34)